1-Acetylbenzocyclobutene oxime

Base Information

• Chemical Name: 1-Acetylbenzocyclobutene oxime
• CAS No.: 3264-31-1
• Molecular Formula: C10H11NO
• Molecular Weight: 161.22
• Hs Code.: 2928000090
• Nikkaji Number: J41.522G
• Mol file: 3264-31-1.mol

Synonyms:1-Acetylbenzocyclobutene oxime;3264-31-1;Bicyclo(4.2.0)octa-1,3,5-trien-7-yl methyl ketone oxime;KETONE, BICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL METHYL, OXIME;LS-87063;1-(Bicyclo[4.2.0]octa-1,3,5-trien-7-yl)ethanone oxime;Ethanone, 1-bicyclo[4.2.0]octa-1,3,5-trien-7-yl-, oxime

Chemical Property of 1-Acetylbenzocyclobutene oxime

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Refractive Index: 1.5200 (estimate)
• Boiling Point: 320.5°Cat760mmHg
• PKA: 11.90±0.10(Predicted)
• Flash Point: 195.9°C
• PSA: 32.59000
• Density: 1.17g/cm³
• LogP: 2.17640
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=NO)C1CC2=CC=CC=C12
• Isomeric SMILES: C/C(=N/O)/C1CC2=CC=CC=C12

Technology Process of 1-Acetylbenzocyclobutene oxime

There total 1 articles about 1-Acetylbenzocyclobutene oxime which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 1-Acetylbenzocyclobutenoxim (3264-31-1)

Guidance literature:

Keton III, NH2OH*HCl;

Reference yield:

1-Acetylbenzocyclobutenoxim (3264-31-1) + methyl iodide (74-88-4) → O-Methyl-1-acetylbenzoylcyclobutene Oxime (6813-91-8)

Guidance literature:

Multistep reaction; (i) NaNH₂, DMF, (ii) /BRN= 969135/;

DOI:10.1021/jm00323a004

Reference yield:

1-Acetylbenzocyclobutenoxim (3264-31-1) + acetyl chloride (75-36-5) → O-Acetyl-1-acetylbenzocyclobutene Oxime (6813-93-0)

Guidance literature:

With triethylamine; In diethyl ether;

DOI:10.1021/jm00323a004

Downstream raw materials:

1-Bicyclo[4.2.0]octa-1⁽⁶⁾,2,4-trien-7-yl-ethanone O-allyl-oxime

O-Acetyl-1-acetylbenzocyclobutene Oxime

1-Bicyclo[4.2.0]octa-1,3,5-trien-7-yl-ethanone O-benzyl-oxime

O-(2-Hydroxypropyl)-1-acetylbenzocyclobutene Oxime